SCHEMBL5596592

SCHEMBL5596592

[c]1nc(NCCc2ccccc2Oc2ccccc2)ncc1-c1nc2ccccc2s1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
HRH1 P35367 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 2/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAOA P21397 1/20 0.35
ILK Q13418 2/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
CASR P41180 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5596411 0.86 RAB9A (0.45) RAB9ANPC1SMN1; SMN2MAPK1L3MBTL1
SCHEMBL5596495 0.83 LTA4H (0.39) RAB9ANPC1SMN1; SMN2MAPK1L3MBTL1
SCHEMBL5596256 0.82 NPC1 (0.54) RAB9ANPC1SMN1; SMN2L3MBTL1MAPT
SCHEMBL5596674 0.79 NPC1 (0.44) RAB9ANPC1SMN1; SMN2MAPTILK
SCHEMBL5597098 0.79 MAPT (0.49) RAB9ANPC1SMN1; SMN2L3MBTL1MAPT
SCHEMBL5596747 0.78 CDK1 (0.35) RAB9ANPC1SMN1; SMN2MAPTILK
SCHEMBL5596406 0.77 ILK (0.51) RAB9ANPC1SMN1; SMN2L3MBTL1MAPT
SCHEMBL5596942 0.77 ILK (0.51) RAB9ANPC1SMN1; SMN2MAPTILK
SCHEMBL5596500 0.77 ILK (0.58) ILK
SCHEMBL5596937 0.77 ILK (0.53) RAB9ANPC1SMN1; SMN2MAPTNFKB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1696909-B1 BENZOTHIAZOLE DERIVATIVES FOR THE TREATMENT OF DIABETES SERONO LAB (CH) 2007-11-14 EP claimed